Molecular Properties | |
SMILES: | O=C1Nc2cc1ccc2C1(Cc2cccc(Cl)c2)CCOCC1 |
MW: | 327.1 |
Fraction sp3: | 0.32 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 38.33 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-56
0.783
SAD-SAT-7d5528d9-23
0.571
SAD-SAT-7d5528d9-20
0.541
SAD-SAT-7d5528d9-5
0.471
SAD-SAT-7d5528d9-11
0.402
SAD-SAT-7d5528d9-50
0.385
SAD-SAT-7d5528d9-45
0.372
SAD-SAT-7d5528d9-17
0.360
SAD-SAT-7d5528d9-52
0.347
SAD-SAT-7d5528d9-53
0.326
SAD-SAT-7d5528d9-12
0.326
SAD-SAT-7d5528d9-4
0.316
SAD-SAT-7d5528d9-40
0.309
SAD-SAT-7d5528d9-54
0.305
AAR-POS-0daf6b7e-29
0.303
JOH-IMS-1436231f-6
0.303
SAD-SAT-7d5528d9-9
0.295
SAD-SAT-7d5528d9-46
0.293
DAR-DIA-b80f1cd7-3
0.291
MAT-POS-0bc33984-2
0.287
PET-UNK-f92d7c0c-4
0.286
PET-UNK-f92d7c0c-5
0.286
SAD-SAT-7d5528d9-38
0.278
DAR-DIA-b80f1cd7-6
0.277
PET-UNK-f92d7c0c-1
0.276
PET-UNK-f92d7c0c-6
0.276
DAR-DIA-b80f1cd7-13
0.275
SAD-SAT-7d5528d9-47
0.274
MAT-POS-500ca5bf-2
0.271
MIC-UNK-42806bd5-1
0.271
ALP-POS-90e38439-2
0.271
SAD-SAT-7d5528d9-36
0.270
MIC-UNK-fc94cdb5-1
0.267
SAD-SAT-7d5528d9-49
0.265
EDJ-MED-c8e7a002-10
0.263
NAU-LAT-a5c7d7cb-14
0.263
ROB-UNI-daaf9793-2
0.263
JOH-UNI-0e1753c1-1
0.261
SAD-SAT-7d5528d9-21
0.258
PET-UNK-f92d7c0c-3
0.258
JOH-UNI-6fede743-3
0.258
JIN-POS-6dc588a4-19
0.258
MAT-POS-bb423b95-6
0.258
RUB-POS-1325a9ea-1
0.258
MAT-POS-f7918075-7
0.258
MIC-UNK-8373f97b-2
0.258
JAN-GHE-5a013bed-11
0.256
MIC-UNK-4c7b8ba7-1
0.256
SAD-SAT-7d5528d9-24
0.255
RUB-POS-1325a9ea-23
0.255
ALP-POS-90e38439-1
0.255
NAU-LAT-a5c7d7cb-13
0.255
JIN-POS-6dc588a4-2
0.255
VLA-UCB-1dbca3b4-1
0.255
EDJ-MED-c8e7a002-3
0.255
DAR-DIA-b80f1cd7-7
0.254
MIC-UNK-42806bd5-2
0.253
ALP-POS-90e38439-3
0.253
ALP-POS-8b8a49e1-5
0.253
MAT-POS-0bc33984-1
0.253
DAN-LON-a5fc619e-2
0.253
DAR-DIA-b80f1cd7-8
0.252
MED-COV-4280ac29-15
0.250
JOH-UNI-0e1753c1-3
0.250
AAR-POS-d2a4d1df-35
0.250
JOH-UNI-0e1753c1-2
0.250
ALP-POS-91609ae9-1
0.250
DAR-DIA-b80f1cd7-11
0.250
HYO-UNK-49a60884-1
0.250
KRI-MAR-d2e3ef86-9
0.245
SAD-SAT-7d5528d9-18
0.245
RUB-POS-1325a9ea-24
0.245
VLA-UCB-00f2c2b3-7
0.245
MAK-UNK-6ca90168-13
0.244
ALP-POS-8b8a49e1-7
0.244
JOH-UNI-23d9e1b1-1
0.244
DAR-DIA-b80f1cd7-5
0.243
COM-UCB-8c7d23dc-3
0.243
ROB-UNI-daaf9793-4
0.242
ALP-POS-8b8a49e1-8
0.242
PET-UNK-158bee2a-1
0.239
VLA-UNK-4cf5aa07-1
0.239
JAG-UCB-ef2c0e8e-5
0.239
JAG-UCB-a3ef7265-1
0.239
SEA-TRI-9e600f3c-1
0.238
MAT-POS-c20a539d-4
0.238
RUB-POS-1325a9ea-11
0.237
RUB-POS-1325a9ea-6
0.237
RUB-POS-1325a9ea-18
0.237
MIC-UNK-d935700b-2
0.237
DAR-DIA-b80f1cd7-9
0.237
VLA-UNK-4cf5aa07-2
0.237
PET-UNK-f92d7c0c-7
0.237
JAN-GHE-5a013bed-4
0.236
EDG-MED-0da5ad92-21
0.236
AAR-RCN-28a8122f-1
0.236
PET-UNK-158bee2a-3
0.236
DAR-DIA-b80f1cd7-4
0.235
EDJ-MED-a364e151-2
0.235
SAD-SAT-7d5528d9-15
0.235